9,9-diethyl-N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]fluoren-3-amine

C48H42N2 — CID 168810437

IUPAC9,9-diethyl-N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]fluoren-3-amine
SMILESCCC1(CC)c2ccccc2-c2cc(N(c3ccccc3)c3ccc(Cc4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)ccc21
InChIInChI=1S/C48H42N2/c1-3-48(4-2)46-23-15-14-22-44(46)45-35-43(32-33-47(45)48)50(40-20-12-7-13-21-40)42-30-26-37(27-31-42)34-36-24-28-41(29-25-36)49(38-16-8-5-9-17-38)39-18-10-6-11-19-39/h5-33,35H,3-4,34H2,1-2H3
InChIKeyYJKMXLWBOQLANA-UHFFFAOYSA-N
MW646.88 g/mol
LogP13.30
Rot. Bonds10

About 9,9-diethyl-N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]fluoren-3-amine

9,9-diethyl-N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]fluoren-3-amine (PubChem CID 168810437) has the molecular formula C48H42N2 and a molecular weight of 646.88 g/mol. Its IUPAC name is 9,9-diethyl-N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]fluoren-3-amine.

Molecular Properties

Compound Name9,9-diethyl-N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]fluoren-3-amine
PubChem CID168810437
Molecular FormulaC48H42N2
Molecular Weight646.88 g/mol
Exact Mass646.33
IUPAC Name9,9-diethyl-N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]fluoren-3-amine
SMILESCCC1(CC)c2ccccc2-c2cc(N(c3ccccc3)c3ccc(Cc4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)ccc21
InChIInChI=1S/C48H42N2/c1-3-48(4-2)46-23-15-14-22-44(46)45-35-43(32-33-47(45)48)50(40-20-12-7-13-21-40)42-30-26-37(27-31-42)34-36-24-28-41(29-25-36)49(38-16-8-5-9-17-38)39-18-10-6-11-19-39/h5-33,35H,3-4,34H2,1-2H3
InChIKeyYJKMXLWBOQLANA-UHFFFAOYSA-N
XLogP13.30
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.88
LogP ≤ 513.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,2-N,7-N-tris(9,9-diethylfluoren-2-yl)-9,9-diethyl-7-N-phenylfluorene-2,7-diamine
CID 23561815
N-(9,9-diethylfluoren-2-yl)-11,11-diethyl-N-phenylbenzo[b]fluoren-3-amine
CID 177080014
2-N',2-N',7-N',7-N'-tetrakis(9,9-diethylfluoren-2-yl)-2-N,2-N,7-N,7-N-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 121276321
9,9-dimethyl-N,N-diphenylfluoren-3-amine
CID 126704960
9,9,18,18,27,27-hexaethyl-5-N,5-N,14-N,14-N,23-N,23-N-hexakis-phenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene-5,14,23-triamine
CID 101441557
N,N-bis(3,4-dimethylphenyl)-9,9-diethylfluoren-2-amine
CID 20685715
7-bromo-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 18694816
N-(9,9-diethylfluoren-2-yl)-11,11-diphenyl-N-(4-phenylphenyl)benzo[b]fluoren-3-amine
CID 177080169
9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
CID 121285785
4-N-[4-[4-[N-[6'-[[4-(N-[4-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenylanilino)phenyl]methyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,1-N-diphenyl-4-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine
CID 166718125
7-[(E)-2-[7-[(E)-2-[9,9-diethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]-9,9-diethylfluoren-2-yl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 101497253
N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenylfluoren-3-amine
CID 167340405

Frequently Asked Questions

What is the IUPAC name of 9,9-diethyl-N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]fluoren-3-amine?
The IUPAC name of 9,9-diethyl-N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]fluoren-3-amine (CID 168810437) is 9,9-diethyl-N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]fluoren-3-amine.
What is the SMILES notation for 9,9-diethyl-N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]fluoren-3-amine?
The canonical SMILES for 9,9-diethyl-N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]fluoren-3-amine is CCC1(CC)c2ccccc2-c2cc(N(c3ccccc3)c3ccc(Cc4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)ccc21.
What is the InChIKey of 9,9-diethyl-N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]fluoren-3-amine?
The InChIKey is YJKMXLWBOQLANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H42N2/c1-3-48(4-2)46-23-15-14-22-44(46)45-35-43(32-33-47(45)48)50(40-20-12-7-13-21-40)42-30-26-37(27-31-42)34-36-24-28-41(29-25-36)49(38-16-8-5-9-17-38)39-18-10-6-11-19-39/h5-33,35H,3-4,34H2,1-2H3.
What are the key properties of 9,9-diethyl-N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]fluoren-3-amine?
9,9-diethyl-N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]fluoren-3-amine has a molecular weight of 646.88 g/mol, XLogP of 13.30, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-diethyl-N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]fluoren-3-amine is sourced from PubChem (CID 168810437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).